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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:39:10 UTC
Update Date2025-03-24 21:16:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01728304
Frequency0.7
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESC1CC2OC(O1)C1OC21
InChI KeyUHMGCEWVCOTJQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,4-dioxanes
  • acetals
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • para-dioxane
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound